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	hartrees
Energy at 0K	-358.626928
Energy at 298.15K	-358.634828
HF Energy	-357.533151
Nuclear repulsion energy	249.930592

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3152	3085
2	A'	3073	3008
3	A'	3060	2996
4	A'	1752	1715
5	A'	1515	1483
6	A'	1490	1458
7	A'	1425	1395
8	A'	1389	1359
9	A'	1324	1296
10	A'	1146	1122
11	A'	1070	1048
12	A'	933	913
13	A'	864	846
14	A'	704	689
15	A'	564	552
16	A'	379	371
17	A'	230	225
18	A"	3161	3094
19	A"	3128	3062
20	A"	1474	1443
21	A"	1283	1255
22	A"	1178	1153
23	A"	823	806
24	A"	761	744
25	A"	259	253
26	A"	122	119
27	A"	101	99

Atom	x (Å)	y (Å)	z (Å)
N1	1.109	-0.316	0.000
O2	0.000	0.576	0.000
O3	2.167	0.265	0.000
O4	0.870	-1.508	0.000
C5	-1.275	-0.114	0.000
C6	-2.323	0.992	0.000
H7	-1.349	-0.755	0.897
H8	-1.349	-0.755	-0.897
H9	-3.331	0.539	0.000
H10	-2.219	1.627	0.897
H11	-2.219	1.627	-0.897

	N1	O2	O3	O4	C5	C6	H7	H8	H9	H10	H11
N1		1.4228	1.2067	1.2159	2.3923	3.6724	2.6534	2.6534	4.5219	3.9568	3.9568
O2	1.4228		2.1889	2.2581	1.4494	2.3598	2.0968	2.0968	3.3316	2.6145	2.6145
O3	1.2067	2.1889		2.1965	3.4624	4.5480	3.7694	3.7694	5.5050	4.6795	4.6795
O4	1.2159	2.2581	2.1965		2.5583	4.0550	2.5095	2.5095	4.6737	4.4920	4.4920
C5	2.3923	1.4494	3.4624	2.5583		1.5232	1.1052	1.1052	2.1577	2.1743	2.1743
C6	3.6724	2.3598	4.5480	4.0550	1.5232		2.1916	2.1916	1.1053	1.1045	1.1045
H7	2.6534	2.0968	3.7694	2.5095	1.1052	2.1916		1.7939	2.5314	2.5359	3.1066
H8	2.6534	2.0968	3.7694	2.5095	1.1052	2.1916	1.7939		2.5314	3.1066	2.5359
H9	4.5219	3.3316	5.5050	4.6737	2.1577	1.1053	2.5314	2.5314		1.7960	1.7960
H10	3.9568	2.6145	4.6795	4.4920	2.1743	1.1045	2.5359	3.1066	1.7960		1.7950
H11	3.9568	2.6145	4.6795	4.4920	2.1743	1.1045	3.1066	2.5359	1.7960	1.7950

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	O2	C5	112.798	O2	N1	O3	112.437
O2	N1	O4	117.471	O2	C5	C6	105.069
O2	C5	H7	109.594	O2	C5	H8	109.594
O3	N1	O4	130.092	C5	C6	H9	109.314
C5	C6	H10	110.666	C5	C6	H11	110.666
C6	C5	H7	112.009	C6	C5	H8	112.009
H7	C5	H8	108.504	H9	C6	H10	108.726
H9	C6	H11	108.726	H10	C6	H11	108.696

All results from a given calculation for C₂H₅NO₃ (Nitric acid, ethyl ester)

using model chemistry: CCSD(T)/cc-pVDZ

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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All results from a given calculation for C2H5NO3 (Nitric acid, ethyl ester)

using model chemistry: CCSD(T)/cc-pVDZ

States and conformations

All results from a given calculation for C₂H₅NO₃ (Nitric acid, ethyl ester)